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  1. Third-Parties
  2. MatprojStructure
  3. mp-676089

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-676089
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 7
  • Number of elements: 3
  • Element list: ['Fe', 'Co', 'Se']
  • Chemical System: Co-Fe-Se
  • Density: 7.019380679603086
  • Atomic Density: 0.060827189527959485
  • Unit Cell Volume: 115.08011555888866
  • Molar Volume: 9.90040935103848
  • Full Formula: Fe2 Co1 Se4
  • Reduced Formula: Fe2CoSe4
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -40.07316786
  • Final energy per atom: -5.724738265714286
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.